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The Effect of Carborane Substituents on the Lewis Acidity of Boranes

07 June 2023, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The Lewis acidity of primary, secondary, and tertiary boranes with phenyl, pentafluorophenyl, and all three isomers of icosahedral carboranes (ortho, meta, and para) were investigated by computing their fluoride, hydride, and ammonia affinities as well as global electrophilicity indices and LUMO energies. From these calculations, the substituent effects on the Lewis acidity follow the trend of ortho-carborane > meta-carborane > para-carborane > C6F5 > C6H5.

Keywords

Boranes
Lewis acids

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Version History

Jun 07, 2023 Version 1

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The content is available under CC BY NC 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2023-31l4k
D O I: 10.26434/chemrxiv-2023-31l4k [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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